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CHEBI:168449 - Bisacurone epoxide

ChEBI IDCHEBI:168449
ChEBI NameBisacurone epoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESCC(C)=CC(=O)CC(C)C1CC(O)C(C)(O)C2OC12
InChIInChI=1S/C15H24O4/c1-8(2)5-10(16)6-9(3)11-7-12(17)15(4,18)14-13(11)19-14/h5,9,11-14,17-18H,6-7H2,1-4H3
InChIKeyYFDIAFVTFRYMNI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Bisacurone epoxide (CHEBI:168449) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
6-(4,5-dihydroxy-5-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-2-methylhept-2-en-4-one
Manual XrefsDatabases
HMDB0038503HMDB
35014588ChemSpider